Fig. 2: Energy band structure and interface electric field properties.

a The energy band and PDOS of MoS2, PBA, and the optimized configurations of PBA/MoS2. b Electrostatic potentials of MoS2 and PBA. c The charge difference distribution of PBA/MoS2 interface, red and blue indicate charge accumulation and depletion. d, e Atomic force microscopy image and corresponding surface potential distribution of KPFM for PBA/MoS2@CSH in darkness and under light irradiation. f The line-scanning surface potential from point A to B. g, h The surface charge density and TRPL spectroscopy of PBA@CSH and PBA/MoS2@CSH, respectively.